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JI6

CAT: 0804-HY-18949Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18949Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JI6 is a potent, selective and orally active FLT3 inhibitor, with IC50s of ～40, 8, and 4 nM for FLT3-WT, FLT3-D835Y, and FLT3-D835H, respectively. JI6 also inhibits JAK3 and c-Kit, with IC50s of ～250 and ～500 nM, respectively. JI6 can be used for the research of acute myeloid leukemia[1].
CAS Number
856436-16-3
UNSPSC
12352005
Target
C-Kit; FLT3; JAK
Type
Reference compound
Related Pathways
Epigenetics; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ji6.html
Solubility
10 mM in DMSO
Smiles
O=C1NC2=CC=C(C3=CN=CC=C3)C=C2/C1=C/C4=CC=CN4.O=S(O)(C)=O
Molecular Formula
C19H17N3O4S
Molecular Weight
383.42
References & Citations
[1]Chen Y, et, al. Identification of an orally available compound with potent and broad FLT3 inhibition activity. Oncogene. 2016 Jun 9;35 (23) :2971-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
JAK3

Chemical Information

JAK3 inhibitor VI mesylate
CAS Number856436-16-3
PubChem CID16760524
IUPAC Namemethanesulfonic acid;(3Z)-5-pyridin-3-yl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
Molecular FormulaC19H17N3O4S
Molecular Weight383.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity554
SMILES
CS(=O)(=O)O.C1=CC(=CN=C1)C2=CC\3=C(C=C2)NC(=O)/C3=C\C4=CC=CN4
InChI
InChI=1S/C18H13N3O.CH4O3S/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13;1-5(2,3)4/h1-11,20H,(H,21,22);1H3,(H,2,3,4)/b16-10-;
InChIKey
ZUDPNBZMAJGYTE-HYMQDMCPSA-N
Chemical Structure
2D Structure
2D structure of JAK3 inhibitor VI mesylate
CAS: 856436-16-3
CID: 16760524
Formula: C19H17N3O4S
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass383.09397721
Monoisotopic Mass383.09397721
Topological Polar Surface Area121 Ų
Heavy Atom Count27
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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